Compound Identification
SMILES
CCOC(=O)C1=C(NC(=S)NC(=O)C2=CC3=CC=CC=C3OC2=O)SC2=C1CCC(C2)C(C)(C)CC
InChIKey
InChIKey=KBNPNIDTDQTZAO-UHFFFAOYSA-N
Formula
C27H30N2O5S2
Mass
526.67
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Coumarins and derivatives
Alternative Parents
1-benzopyrans Thiophene carboxylic acids and derivatives Pyranones and derivatives Benzenoids Vinylogous amides Heteroaromatic compounds Thioureas Carboxylic acid esters Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Thiophene carboxylic acid or derivatives - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Vinylogous amide - Thiophene - Carboxylic acid ester - Lactone - Thiourea - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
External Descriptors
Not available